SCHEMBL8713414

SCHEMBL8713414

C=C(C(=O)OCCC)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.43
MMP1 P03956 5/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 2/20 0.42
MMP9 P14780 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP8 P22894 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
STS P08842 1/20 0.40
MMP3 P08254 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9755713 0.88 ALDH1A1 (0.46) MMP13MMP1CHRM2CHRM1HTT
SCHEMBL28114919 0.85 ALDH1A1 (0.41) NPSR1LMNATSHRSMN1; SMN2GAA
SCHEMBL27585806 0.84 LMNA (0.47) HTTLMNASMN1; SMN2GAA
SCHEMBL28013660 0.79 MAPT (0.49) CHRM1TSHRCA1CA2STS
SCHEMBL12827982 0.77 PKM (0.52) MMP13MMP1HTTNPSR1PKM
SCHEMBL9755721 0.74 ALDH1A1 (0.50) HTTNPSR1LMNATSHRSMN1; SMN2
SCHEMBL28111593 0.74 HTT (0.49) HTTLMNASMN1; SMN2GAA
SCHEMBL14493233 0.73 TSHR (0.50) LMNATSHRSMN1; SMN2STS
SCHEMBL27731552 0.72 HDAC3 (0.49) HTTLMNATSHRSMN1; SMN2CA1
SCHEMBL9755727 0.72 MEN1 (0.58) HTTNPSR1LMNATSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847153-A β-sulfonyl hydroxamic acids PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US disclosed